N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-hexoxybenzoyl)thiocarbamoylamino]benzamide Formula: C27H27ClFN3O3S MolecularWeight: 528.037983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C27H27ClFN3O3S/c1-2-3-4-5-15-35-22-12-9-18(10-13-22)25(33)32-27(36)31-20-8-6-7-19(16-20)26(34)30-21-11-14-24(29)23(28)17-21/h6-14,16-17H,2-5,15H2,1H3,(H,30,34)(H2,31,32,33,36)